2-(4-Cyanobenzenesulfonamido)acetic acid
Basic information
- CAS
214841-99-3- Standard SMILES
N#Cc1ccc(S(=O)(=O)NCC(=O)O)cc1- InChIKey
FDHUUEBQWGBPMV-UHFFFAOYSA-N- Molecular formula
- C9H8N2O4S
- Average molar mass
- 240.24 g/mol
- Monoisotopic mass
- 240.02047791
Names & identifiers
- Preferred name
- 2-(4-Cyanobenzenesulfonamido)acetic acid
- IUPAC
- 2-[(4-cyanophenyl)sulfonylamino]acetic acid
- English name
- Glycine, N-[(4-cyanophenyl)sulfonyl]-
- Molecular formula
- C9H8N2O4S
- Molecular weight
- 240.24
Names & synonyms
2-(4-cyanobenzenesulfonamido)acetic acid214841-99-3RefChem:457454864-152-72-[(4-cyanophenyl)sulfonylamino]acetic Acid{[(4-cyanophenyl)sulfonyl]amino}acetic acid([(4-Cyanophenyl)sulfonyl]amino)acetic acidMFCD05262724PIA84199AKOS0001173362-(4-cyanobenzenesulfonamido)aceticacid((4-CYANOPHENYL)SULFONYL)GLYCINE
Show more names
Glycine, N-[(4-cyanophenyl)sulfonyl]-$%$2-(4-cyanophenylsulfonamido)acetic acid#%#2-(4-cyanobenzenesulfonamido)acetic acid2-(4-cyanobenzeneSulfonamide)acetic acid2-(4-Cyanobenzenesulfonylamino)-acetic acid2-(4-cyanobenzenesulfonamide)-acetic acid
2-[(4-cyanobenzene)sulfonamido]acetic acidEN300-09056G34017Z45658622
Database identifiers
- CAS
214841-99-3- PubChem CID
- 2106567
- EC Number
- 864-152-7
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 181 · 181-182 °C
- Boiling point
- 501.5 · 501.5±60.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 3.26 · 3.26±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H332-H315-H312-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H332-H315-H312-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…